Geometry & MOs

Info

ID:	362092
PubChem CID:	127305769
Reduced:	SN3O4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-147.64
Dipole, Da:	6.51
IP(EA), eV:	-9.45(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-oxo-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCCC(C1)C(=O)N2CCCC2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations